Enhancing Singlet Fission Coupling with Nonbonding Orbitals

Author(s):  
Aaditya Manjanath ◽  
Chou-Hsun Yang ◽  
Karl Kue ◽  
Chun-I Wang ◽  
Gil C. Claudio ◽  
...  
Keyword(s):  
2020 ◽  
Author(s):  
Ekadashi Pradhan ◽  
Jordan N. Bentley ◽  
Christopher B. Caputo ◽  
Tao Zeng

This is a computational chemistry study in designing singlet fission chromophores based on a diazadiborine framework. Substitutions and additions are proposed to enhance diradical character of the diazadiborine so that the designed molecules satisfy the two energy criteria for singlet fission. Synthesizability of the designed molecules is discussed.


2019 ◽  
Author(s):  
Alexandr Zaykov ◽  
Josef Michl ◽  
Zdeněk Havlas ◽  
Eric Buchanan ◽  
Milena Jovanović
Keyword(s):  

2015 ◽  
Vol 6 (1) ◽  
Author(s):  
Rui Wang ◽  
Chunfeng Zhang ◽  
Bo Zhang ◽  
Yunlong Liu ◽  
Xiaoyong Wang ◽  
...  

Author(s):  
Xingang Zhao ◽  
James P. O’Connor ◽  
Jonathan D. Schultz ◽  
Youn Jue Bae ◽  
Chenjian Lin ◽  
...  

2021 ◽  
Vol 12 (3) ◽  
pp. 966-972
Author(s):  
Tao Zhang ◽  
Deepesh Rai ◽  
Russell J. Holmes

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2922
Author(s):  
Joanna Stoycheva ◽  
Julia Romanova ◽  
Alia Tadjer

Singlet fission, a multiple exciton generation process, can revolutionize existing solar cell technologies. Offering the possibility to double photocurrent, the process has become a focal point for physicists, chemists, software developers, and engineers. The following review is dedicated to the female investigators, predominantly theorists, who have contributed to the field of singlet fission. We highlight their most significant advances in the subject, from deciphering the mechanism of the process to designing coveted singlet fission materials.


2021 ◽  
Author(s):  
Tobias Ullrich ◽  
Dominik Munz ◽  
Dirk M. Guldi

Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation transforms into two triplet excited states.


Author(s):  
Miroslav Dvořák ◽  
Shyamal K. K. Prasad ◽  
Cameron B. Dover ◽  
Chelsea R. Forest ◽  
Akasha Kaleem ◽  
...  
Keyword(s):  

Author(s):  
Clemens Zeiser ◽  
Luca Moretti ◽  
Thomas Geiger ◽  
Lukas Kalix ◽  
Ana M. Valencia ◽  
...  

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